SCHEMBL4125653

SCHEMBL4125653

CC(C)(C)[Si](O[C@H]1CCC[C@H]1CC(=O)O)(c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 1/20 0.36
CYSLTR1 Q9Y271 1/20 0.36
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
TP53 P04637 1/20 0.35
TACR1 P25103 2/20 0.33
BACE1 P56817 1/20 0.33
KMT2A Q03164 1/20 0.33
FFAR1 O14842 3/20 0.32
ABL1 P00519 1/20 0.32
TSHR P16473 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4125656 1.00 CYSLTR2 (0.36) CYSLTR2CYSLTR1ALDH1A1L3MBTL1TP53
SCHEMBL4121153 0.97 CYSLTR2 (0.34) CYSLTR2CYSLTR1ALDH1A1L3MBTL1TP53
SCHEMBL4121158 0.97 CYSLTR2 (0.34) CYSLTR2CYSLTR1ALDH1A1L3MBTL1TP53
SCHEMBL4125679 0.97 CYSLTR2 (0.34) CYSLTR2CYSLTR1ALDH1A1L3MBTL1TP53
SCHEMBL4124828 0.85 MGAM (0.33) ALDH1A1BACE1KMT2AKDM4EMAPT
SCHEMBL4124829 0.85 MGAM (0.33) ALDH1A1BACE1KMT2AKDM4EMAPT
SCHEMBL4124833 0.85 MGAM (0.33) ALDH1A1BACE1KMT2AKDM4EMAPT
SCHEMBL30642221 0.80 ALDH1A1 (0.37) ALDH1A1BACE1KMT2ATSHRKDM4E
SCHEMBL4115577 0.80 BACE1 (0.31) BACE1
SCHEMBL4115573 0.80 BACE1 (0.31) BACE1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090318690-A1 Benzisoxazole Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-12-24 US disclosed
EP-2017275-A1 BENZISOXAZOLE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2009-01-21 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090318690-A1 Benzisoxazole Compound NR1I2, NR1I3, NR0B1 CYSLTR2 1121/4885CYSLTR1 742/4885ALDH1A1 858/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.